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Example VTF file

olenz edited this page Sep 21, 2010 · 1 revision

This is a complete example VTF file that can be loaded into VMD.

##############################
# EXAMPLE VTF TRAJECTORY FILE
##############################
# STRUCTURE BLOCK
# define the default atom
atom default    radius 0.8 name H
# define atoms 0, 2 and 4; atoms 1 and 3 will be filled with the default
atom 0,2,4      radius 1.0 name N
# define atoms 6 to 10
atom 6:10       radius 0.5 name O

# make a cyclic ring of atoms 0 to 5
bond 0:5,0::5
# make a chain of atoms 6 to 10 
bond 6::10

# TIMESTEP BLOCKS
# start a new timestep (ordered by default)
timestep
# set the unitcell
pbc 10.0 10.0 10.0
# now define the coordinates
4.0 7.0 5.0
6.0 7.0 5.0
7.0 5.0 5.0
6.0 3.0 5.0
4.0 3.0 5.0
3.0 5.0 5.0
5.0 5.0 1.0
5.0 5.0 3.0
5.0 5.0 5.0
5.0 5.0 7.0
5.0 5.0 9.0

# start another timestep
timestep
6.0 7.0 5.0
7.0 5.0 5.0
6.0 3.0 5.0
4.0 3.0 5.0
3.0 5.0 5.0
4.0 7.0 5.0
5.0 5.0 1.5
5.0 5.0 3.5
5.0 5.0 5.5
5.0 5.0 7.5
5.0 5.0 9.5

# now start an indexed timestep
timestep indexed
pbc 11.0 11.0 11.0
6 5.0 5.0 1.0
7 5.0 5.0 3.0
8 5.0 5.0 5.0
9 5.0 5.0 7.0
10 5.0 5.0 9.0
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